CID 106176

Einecs 267-836-8

Structural Information

Molecular Formula
C13H11Cl3F17NO2SSi
SMILES
CCN(CCC[Si](Cl)(Cl)Cl)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11Cl3F17NO2SSi/c1-2-34(4-3-5-38(14,15)16)37(35,36)13(32,33)11(27,28)9(23,24)7(19,20)6(17,18)8(21,22)10(25,26)12(29,30)31/h2-5H2,1H3
InChIKey
XTDOBWSCKYKWCE-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(3-trichlorosilylpropyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

700.9074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.91468 199.4
[M+Na]+ 723.89662 205.4
[M-H]- 699.90012 210.6
[M+NH4]+ 718.94122 213.6
[M+K]+ 739.87056 217.3
[M+H-H2O]+ 683.90466 189.0
[M+HCOO]- 745.90560 217.5
[M+CH3COO]- 759.92125 259.9
[M+Na-2H]- 721.88207 199.1
[M]+ 700.90685 207.4
[M]- 700.90795 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.